chempirical

1-(2-Bromoethoxy)-2-methoxybenzene

C9H11BrO2CAS 4463-59-6231.09 g/mol

Open in Covalent MOL file
OOBr
Alkyl halideEther

Properties

Molecular formula
C9H11BrO2
Molar mass
231.09 g/mol
Exact mass
229.9942 Da
Melting point
43–45 °C
Boiling point
135–140 °C (at 7 Torr)
logP
2.47Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
4463-59-6
SMILES
COc1ccccc1OCCBr
InChIKey
PBRPKYRJVDJZTF-UHFFFAOYSA-N
InChI
InChI=1S/C9H11BrO2/c1-11-8-4-2-3-5-9(8)12-7-6-10/h2-5H,6-7H2,1H3

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Names and synonyms

3 names
  • Benzene, 1-(2-bromoethoxy)-2-methoxy-
  • 2-(2-Methoxyphenoxy)ethyl bromide
  • 2-Bromoethyl 2-methoxyphenyl ether

Work with 1-(2-Bromoethoxy)-2-methoxybenzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(2-Bromoethoxy)-2-ethoxybenzene3259-03-868 % similar 2-(2-Methoxyphenoxy)ethanamine1836-62-063 % similar 1,2-Dimethoxybenzene91-16-758 % similar 2-(2-Methoxyphenoxy)ethylamine hydrochloride64464-07-958 % similar Benzodioxan493-09-452 % similar 2-[(2-Methoxyphenoxy)methyl]oxirane2210-74-452 % similar 2-Bromoanisole578-57-448 % similar 2-(2-Methoxyphenoxy)acetic acid1878-85-947 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Bromobenzaldehyde dimethyl acetal24856-58-4 3,5-Dimethoxybenzyl bromide877-88-3

Elsewhere

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